bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate

C41H78N2O4 — CID 20512159

IUPACbis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCCCCCCCN1C(C)(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(C)N(CCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C41H78N2O4/c1-13-17-19-21-23-25-27-42-37(5,6)29-33(30-38(42,7)8)46-35(44)41(15-3,16-4)36(45)47-34-31-39(9,10)43(40(11,12)32-34)28-26-24-22-20-18-14-2/h33-34H,13-32H2,1-12H3
InChIKeyCOPXTPWRSPZDOO-UHFFFAOYSA-N
MW663.08 g/mol
LogP10.64
Rot. Bonds20

About bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate

bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate (PubChem CID 20512159) has the molecular formula C41H78N2O4 and a molecular weight of 663.08 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
PubChem CID20512159
Molecular FormulaC41H78N2O4
Molecular Weight663.08 g/mol
Exact Mass662.60
IUPAC Namebis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
SMILESCCCCCCCCN1C(C)(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(C)N(CCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C41H78N2O4/c1-13-17-19-21-23-25-27-42-37(5,6)29-33(30-38(42,7)8)46-35(44)41(15-3,16-4)36(45)47-34-31-39(9,10)43(40(11,12)32-34)28-26-24-22-20-18-14-2/h33-34H,13-32H2,1-12H3
InChIKeyCOPXTPWRSPZDOO-UHFFFAOYSA-N
XLogP10.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.08
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate?
The IUPAC name of bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate (CID 20512159) is bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate is CCCCCCCCN1C(C)(C)CC(OC(=O)C(CC)(CC)C(=O)OC2CC(C)(C)N(CCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate?
The InChIKey is COPXTPWRSPZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H78N2O4/c1-13-17-19-21-23-25-27-42-37(5,6)29-33(30-38(42,7)8)46-35(44)41(15-3,16-4)36(45)47-34-31-39(9,10)43(40(11,12)32-34)28-26-24-22-20-18-14-2/h33-34H,13-32H2,1-12H3.
What are the key properties of bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate?
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate has a molecular weight of 663.08 g/mol, XLogP of 10.64, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate is sourced from PubChem (CID 20512159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).